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CAS 107746-24-7 （2S,4R)-N-methyl-2-hydroxy methyl-4-hydroxy pyrrolidine hyd molecular structure lightbox
CAS RN: 107746-24-7

（2S,4R)-N-methyl-2-hydroxy methyl-4-hydroxy pyrrolidine hyd

  • Product code: SSC-009162
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 107746-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

107746-24-7 / (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride

(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol hydrochloride | MFCD12545916 | 2S,4R)-N-methyl-2-hydroxy methyl-4-hydroxy pyrrolidine hyd

Standard CAS: 107746-24-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107746-24-7
Multi CAS
Yes
Molecular Formula
C6H14ClNO2
Molecular Weight
167.630000
Exact Mass
167.071306
SMILES
CN1C[C@@H](C[C@H]1CO)O.Cl
InChI
InChI=1S/C6H13NO2.ClH/c1-7-3-6(9)2-5(7)4-8;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKey
ANKBLDRZORUBIK-RIHPBJNCSA-N
Synonyms
(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol hydrochloride MFCD12545916 2S,4R)-N-methyl-2-hydroxy methyl-4-hydroxy pyrrolidine hyd (3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride (2S,4R)-N-methyl-2-hydroxy methyl-4-hydroxy pyrrolidine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.38
TPSA
43.7

LogP / Solubility

WLOGP
-0.53
MLOGP
-0.47
XLogP3
-0.53
Consensus LogP
-0.51
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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